CID 18505222

1-(2-bromoethyl)-2,3-dihydro-1h-indole hydrobromide

Structural Information

Molecular Formula

C₁₀H₁₂BrN

SMILES

C1CN(C2=CC=CC=C21)CCBr

InChI

InChI=1S/C10H12BrN/c11-6-8-12-7-5-9-3-1-2-4-10(9)12/h1-4H,5-8H2

InChIKey

BTWMYSHDKUSMGR-UHFFFAOYSA-N

Compound name

1-(2-bromoethyl)-2,3-dihydroindole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 225.0153 Da
Monoisotopic Mass: 2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	226.02258	145.9
[M+Na]+	248.00452	149.2
[M+NH4]+	243.04912	152.0
[M+K]+	263.97846	149.0
[M-H]-	224.00802	146.8
[M+Na-2H]-	245.98997	148.7
[M]+	225.01475	145.4
[M]-	225.01585	145.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe